Vitas-M small molecule compound
(4E)-4-{[(2,4-dichlorophenyl)amino]methylidene}-5-methyl-2-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK941962
SMILES Clc1ccc(c(c1)Cl)N/C=C/1\C(=NN(C1=O)c1ccc2n(n1)c(C)nn2)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H13Cl2N7O MW 402.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2N7O/c1-9-12(8-20-14-4-3-11(18)7-13(14)19)17(27)26(23-9)16-6-5-15-22-21-10(2)25(15)24-16/h3-8,20H,1-2H3/b12-8+InChIKey
CXPZGVVKVADSAG-XYOKQWHBSA-NSynonyms
(4E)4(((24dichlorophenyl)amino)methylidene)5methyl2(3methyl(124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(4E)4((24dichloroanilino)methylidene)5methyl2(3methyl(124)triazolo(43b)pyridazin6yl)pyrazol3one
(E)4(((24dichlorophenyl)amino)methylene)3methyl1(3methyl(124)triazolo(43b)pyridazin6yl)1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)Cl)Cl)C3=NN4C(=NN=C4C=C3)C
Clc1ccc(c(c1)Cl)NC=C1C(=NN(C1=O)c1ccc2n(n1)c(C)nn2)C
InChI=1SC17H13Cl2N7Oc1912(820144311(18)713(14)19)17(27)26(239)166515222110(2)25(15)2416h3820H12H3b128+
MFCD13760165
ZINC000036364989
ZINC36364989
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